CID 2758561

3',5'-dimethyl-2'-hydroxyacetophenone

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1=CC(=C(C(=C1)C(=O)C)O)C

InChI

InChI=1S/C10H12O2/c1-6-4-7(2)10(12)9(5-6)8(3)11/h4-5,12H,1-3H3

InChIKey

KBXDUOVVDZNQDY-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-3,5-dimethylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 164.08372 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.09100	133.8
[M+Na]+	187.07294	147.0
[M+NH4]+	182.11754	142.0
[M+K]+	203.04688	141.3
[M-H]-	163.07644	135.4
[M+Na-2H]-	185.05839	139.8
[M]+	164.08317	136.1
[M]-	164.08427	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe